Vitas-M small molecule compound

methyl 5-{3-amino-1-[3-(difluoromethoxy)phenyl]-3-oxopropyl}-4,6-dihydroxypyridine-3-carboxylate

Catalog ID
STL492473
SMILES COC(=O)c1cnc(c(c1O)C(c1cccc(c1)OC(F)F)CC(=O)N)O

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C17H16F2N2O6 MW 382.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16F2N2O6/c1-26-16(25)11-7-21-15(24)13(14(11)23)10(6-12(20)22)8-3-2-4-9(5-8)27-17(18)19/h2-5,7,10,17H,6H2,1H3,(H2,20,22)(H2,21,23,24)
InChIKey
ICUXCEXKKJPOAS-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CNC(=O)C(=C1O)C(CC(=O)N)C2=CC(=CC=C2)OC(F)F
InChI=1SC17H16F2N2O6c12616(25)1172115(24)13(14(11)23)10(612(20)22)83249(58)2717(18)19h2571017H6H21H3(H22022)(H2212324)
methyl5(3amino1(3(difluoromethoxy)phenyl)3oxopropyl)46dihydroxypyridine3carboxylate
methyl5(3amino1(3(difluoromethoxy)phenyl)3oxopropyl)4hydroxy6oxo1Hpyridine3carboxylate
MFCD30715140
ZINC000253623701
ZINC000253623702

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.